dibromoalumane;octane

C8H19AlBr2 — CID 174479691

IUPACdibromoalumane;octane
SMILESBr[AlH]Br.CCCCCCCC
InChIInChI=1S/C8H18.Al.2BrH.H/c1-3-5-7-8-6-4-2;;;;/h3-8H2,1-2H3;;2*1H;/q;+2;;;/p-2
InChIKeyVKTSKPRPPSSOES-UHFFFAOYSA-L
MW302.03 g/mol
LogP4.41
Rot. Bonds5

About dibromoalumane;octane

dibromoalumane;octane (PubChem CID 174479691) has the molecular formula C8H19AlBr2 and a molecular weight of 302.03 g/mol. Its IUPAC name is dibromoalumane;octane.

Molecular Properties

Compound Namedibromoalumane;octane
PubChem CID174479691
Molecular FormulaC8H19AlBr2
Molecular Weight302.03 g/mol
Exact Mass299.97
IUPAC Namedibromoalumane;octane
SMILESBr[AlH]Br.CCCCCCCC
InChIInChI=1S/C8H18.Al.2BrH.H/c1-3-5-7-8-6-4-2;;;;/h3-8H2,1-2H3;;2*1H;/q;+2;;;/p-2
InChIKeyVKTSKPRPPSSOES-UHFFFAOYSA-L
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.03
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

dibromoalumane;dodecane
CID 174323444
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341

Frequently Asked Questions

What is the IUPAC name of dibromoalumane;octane?
The IUPAC name of dibromoalumane;octane (CID 174479691) is dibromoalumane;octane.
What is the SMILES notation for dibromoalumane;octane?
The canonical SMILES for dibromoalumane;octane is Br[AlH]Br.CCCCCCCC.
What is the InChIKey of dibromoalumane;octane?
The InChIKey is VKTSKPRPPSSOES-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H18.Al.2BrH.H/c1-3-5-7-8-6-4-2;;;;/h3-8H2,1-2H3;;2*1H;/q;+2;;;/p-2.
What are the key properties of dibromoalumane;octane?
dibromoalumane;octane has a molecular weight of 302.03 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromoalumane;octane is sourced from PubChem (CID 174479691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).